Crystallography Open Database

Information card for entry 4503123

Preview

Coordinates	4503123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.67 H73.33 Cl12 Mn4 N14 Nb6 O16
Calculated formula	C70.66 H64 Cl12 Mn4 N14 Nb6 O15.98
Title of publication	Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations
Authors of publication	Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	172 - 175
a	14.949 ± 0.004 Å
b	13.373 ± 0.004 Å
c	22.736 ± 0.006 Å
α	90°
β	94.409 ± 0.004°
γ	90°
Cell volume	4532 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503123.cif
174772	2016-01-22	cif/4/50/ (antanas@kurmis) Updating bibliography for entry 4503123.	4503123.cif
41365	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503123 via cif-deposit CGI script.	4503123.cif